SCHEMBL11449451

SCHEMBL11449451

CCOC(=O)C(C)(C)Oc1ccc(CNc2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.52
PPARA Q07869 3/20 0.51
TSHR P16473 2/20 0.51
ABCB11 O95342 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR2A P28223 1/20 0.51
PMP22 Q01453 1/20 0.51
FABP1 P07148 1/20 0.48
FABP6 P51161 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NOS1 P29475 1/20 0.46
HRH3 Q9Y5N1 1/20 0.43
PPARG P37231 3/20 0.43
FBP1 P09467 1/20 0.43
GPR39 O43194 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11449966 0.82 PPARA (0.57) PPARATSHRABCB11CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11456485 0.81 PPARA (0.56) PPARATSHRABCB11CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11449524 0.78 PPARA (0.58) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL1549422 0.78 PPARA (0.64) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL4701840 0.77 PPARA (0.57) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL3943535 0.76 PPARA (0.62) PPARATSHRABCB11CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11449444 0.76 PPARA (0.56) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL11760711 0.75 NPC1 (0.47) NPC1RAB9AGAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11448538 0.75 PPARA (0.61) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL11448788 0.75 PPARA (0.73) PPARATSHRABCB11CYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4214094-A ANTILIPEMIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-07-22 US disclosed